5Z8G

BRD4 Bromodomain 1 with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	32.868, 47.796, 79.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.957 - 1.701
R-factor	0.186
Rwork	0.185
R-free	0.21110
RMSD bond length	0.007
RMSD bond angle	1.027
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.960	1.762
High resolution limit [Å]	1.701	1.701
Number of reflections	14140
<I/σ(I)>	17.48
Completeness [%]	98.0
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	4M sodium formate, 15% glycerol